2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol

C8H6ClN3OS — CID 137224780

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
SMILESNc1nc(-c2ccc(Cl)cc2O)ns1
InChIInChI=1S/C8H6ClN3OS/c9-4-1-2-5(6(13)3-4)7-11-8(10)14-12-7/h1-3,13H,(H2,10,11,12)
InChIKeyAGGNLYFAJDAYIB-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.15
Rot. Bonds1

About 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol

2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol (PubChem CID 137224780) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
PubChem CID137224780
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
SMILESNc1nc(-c2ccc(Cl)cc2O)ns1
InChIInChI=1S/C8H6ClN3OS/c9-4-1-2-5(6(13)3-4)7-11-8(10)14-12-7/h1-3,13H,(H2,10,11,12)
InChIKeyAGGNLYFAJDAYIB-UHFFFAOYSA-N
XLogP2.15
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-chloroquinolin-2-yl)-1,2,4-thiadiazol-5-amine
CID 46839812
3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229255
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
3-(5-amino-1,2,4-thiadiazol-3-yl)chromen-2-one
CID 10514492
5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
CID 158146883
5-chloro-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 82481344
2-amino-4-chlorophenol;carbon dioxide
CID 160735272
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol (CID 137224780) is 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol is Nc1nc(-c2ccc(Cl)cc2O)ns1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol?
The InChIKey is AGGNLYFAJDAYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-4-1-2-5(6(13)3-4)7-11-8(10)14-12-7/h1-3,13H,(H2,10,11,12).
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol?
2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol has a molecular weight of 227.68 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol is sourced from PubChem (CID 137224780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).